methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate

C11H9F4NO2 — CID 139187799

IUPACmethyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate
SMILESCOC(=O)/C(=C\Nc1ccccc1F)C(F)(F)F
InChIInChI=1S/C11H9F4NO2/c1-18-10(17)7(11(13,14)15)6-16-9-5-3-2-4-8(9)12/h2-6,16H,1H3/b7-6+
InChIKeyWOYQKGXCPLYAKZ-VOTSOKGWSA-N
MW263.19 g/mol
LogP2.86
Rot. Bonds3

About methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate

methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate (PubChem CID 139187799) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate
PubChem CID139187799
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Namemethyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate
SMILESCOC(=O)/C(=C\Nc1ccccc1F)C(F)(F)F
InChIInChI=1S/C11H9F4NO2/c1-18-10(17)7(11(13,14)15)6-16-9-5-3-2-4-8(9)12/h2-6,16H,1H3/b7-6+
InChIKeyWOYQKGXCPLYAKZ-VOTSOKGWSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-[2-(2-chlorophenyl)hydrazinyl]-2-(trifluoromethyl)prop-2-enoate
CID 10613749
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
methyl 2-ethyl-2-(2-fluoroanilino)butanoate
CID 54890887
(Z)-2-cyano-3-(2-fluoroanilino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833327
methyl 3-[2-fluoro-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 169479337
1-(2-fluorophenyl)-3-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)urea
CID 71046474
N-(2-fluorophenyl)-2,2-dimethyl-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108968722
[3-(2-fluoroanilino)-1-hydroxy-3-oxoprop-1-en-2-yl] formate
CID 174567720
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319
ethyl (E)-3-(2-fluoroanilino)-2-(4-phenylmethoxyphenyl)prop-2-enoate
CID 56680173
dimethyl (Z)-2-[(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-yl]-4-(triphenyl-lambda5-phosphanylidene)pent-2-enedioate
CID 10257086
methyl 3-(4-chloro-2-fluoroanilino)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enoate
CID 3850728

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate (CID 139187799) is methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate is COC(=O)/C(=C\Nc1ccccc1F)C(F)(F)F.
What is the InChIKey of methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate?
The InChIKey is WOYQKGXCPLYAKZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H9F4NO2/c1-18-10(17)7(11(13,14)15)6-16-9-5-3-2-4-8(9)12/h2-6,16H,1H3/b7-6+.
What are the key properties of methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate?
methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate has a molecular weight of 263.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-fluoroanilino)-2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 139187799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).